1-(3,3-difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole;ethane

C15H24F2N2O — CID 144669773

IUPAC1-(3,3-difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole;ethane
SMILESCC.Cc1cc(C2CCOC2)n(C2CCC(F)(F)C2)n1
InChIInChI=1S/C13H18F2N2O.C2H6/c1-9-6-12(10-3-5-18-8-10)17(16-9)11-2-4-13(14,15)7-11;1-2/h6,10-11H,2-5,7-8H2,1H3;1-2H3
InChIKeyPBVAZEXZTZSZFO-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.08
Rot. Bonds2

About 1-(3,3-difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole;ethane

1-(3,3-difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole;ethane (PubChem CID 144669773) has the molecular formula C15H24F2N2O and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole;ethane.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole;ethane
PubChem CID144669773
Molecular FormulaC15H24F2N2O
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-(3,3-difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole;ethane
SMILESCC.Cc1cc(C2CCOC2)n(C2CCC(F)(F)C2)n1
InChIInChI=1S/C13H18F2N2O.C2H6/c1-9-6-12(10-3-5-18-8-10)17(16-9)11-2-4-13(14,15)7-11;1-2/h6,10-11H,2-5,7-8H2,1H3;1-2H3
InChIKeyPBVAZEXZTZSZFO-UHFFFAOYSA-N
XLogP4.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,3-difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole;ethane?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole;ethane (CID 144669773) is 1-(3,3-difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole;ethane.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole;ethane?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole;ethane is CC.Cc1cc(C2CCOC2)n(C2CCC(F)(F)C2)n1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole;ethane?
The InChIKey is PBVAZEXZTZSZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O.C2H6/c1-9-6-12(10-3-5-18-8-10)17(16-9)11-2-4-13(14,15)7-11;1-2/h6,10-11H,2-5,7-8H2,1H3;1-2H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole;ethane?
1-(3,3-difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole;ethane has a molecular weight of 286.37 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole;ethane is sourced from PubChem (CID 144669773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).